Utilize este identificador para referenciar este registo: http://hdl.handle.net/10400.1/5373
Título: An important well studied atmospheric reaction, O (1D) + H2
Autor: Rio, Carolina
Brandão, João
Wang, Wenli
Palavras-chave: Atmospheric reaction
O (1 D) + H2
Data: 2010
Editora: Elsevier
Citação: Rio, Carolina Maria Apolinário do. An Important Well Studied Atmospheric Reaction, O (1D) + H2, In Advances in Quantum Chemistry, 21-41, Amsterdam: Elsevier, 2010.
Resumo: Among the chemical reactions in atmosphere, the reaction of an excited oxygen atom, O (View the MathML source), with ground state molecular hydrogen, H2 (View the MathML source), has been one of the most studied both experimentally and theoretically. To describe this reaction, various potential energy surfaces have been calibrated and their dynamics has been studied using quantum mechanical and quasiclassical trajectory methods. The theoretical results have shown to be in good agreement with experiment. The main uncertainties arise in the low temperature rate constants and in the isotopic branching ratio when reacting with HD.
Peer review: yes
URI: http://hdl.handle.net/10400.1/5373
DOI: http://dx.doi.org/10.1016/S0065-3276(07)00203-1
ISSN: 0065-3276
Versão do Editor: http://www.sciencedirect.com/science/article/pii/S0065327607002031
Aparece nas colecções:FCT2-Artigos (em revistas ou actas indexadas)

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